4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol

C24H22N2O3 — CID 118707122

IUPAC4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol
SMILESCOc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1ccccc1
InChIInChI=1S/C24H22N2O3/c1-16-12-13-25-23-20(26-15-17-8-10-18(27)11-9-17)14-21(28-2)24(22(16)23)29-19-6-4-3-5-7-19/h3-14,26-27H,15H2,1-2H3
InChIKeyMGYROHXXHWMKRV-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.66
Rot. Bonds6

About 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol

4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol (PubChem CID 118707122) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol
PubChem CID118707122
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol
SMILESCOc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1ccccc1
InChIInChI=1S/C24H22N2O3/c1-16-12-13-25-23-20(26-15-17-8-10-18(27)11-9-17)14-21(28-2)24(22(16)23)29-19-6-4-3-5-7-19/h3-14,26-27H,15H2,1-2H3
InChIKeyMGYROHXXHWMKRV-UHFFFAOYSA-N
XLogP5.66
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol (CID 118707122) is 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol is COc1cc(NCc2ccc(O)cc2)c2nccc(C)c2c1Oc1ccccc1.
What is the InChIKey of 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol?
The InChIKey is MGYROHXXHWMKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-12-13-25-23-20(26-15-17-8-10-18(27)11-9-17)14-21(28-2)24(22(16)23)29-19-6-4-3-5-7-19/h3-14,26-27H,15H2,1-2H3.
What are the key properties of 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol?
4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol has a molecular weight of 386.45 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxy-4-methyl-5-phenoxyquinolin-8-yl)amino]methyl]phenol is sourced from PubChem (CID 118707122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).